N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide

C15H18N4O2 — CID 61214618

IUPACN-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccccc2-n2ccnc2)C1
InChIInChI=1S/C15H18N4O2/c1-21-11-8-13(17-9-11)15(20)18-12-4-2-3-5-14(12)19-7-6-16-10-19/h2-7,10-11,13,17H,8-9H2,1H3,(H,18,20)
InChIKeyNJHYGHYKGONRFZ-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.19
Rot. Bonds4

About N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide

N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61214618) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID61214618
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccccc2-n2ccnc2)C1
InChIInChI=1S/C15H18N4O2/c1-21-11-8-13(17-9-11)15(20)18-12-4-2-3-5-14(12)19-7-6-16-10-19/h2-7,10-11,13,17H,8-9H2,1H3,(H,18,20)
InChIKeyNJHYGHYKGONRFZ-UHFFFAOYSA-N
XLogP1.19
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434124
N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110471752
(2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide
CID 104912825
4-methoxy-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 61214161
2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid
CID 61213078
(2S,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide;dihydrochloride
CID 128981767
4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 61215179
N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
CID 12911535
4-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 61215202
4-methoxy-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 63327667
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 107273646

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide (CID 61214618) is N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2ccccc2-n2ccnc2)C1.
What is the InChIKey of N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is NJHYGHYKGONRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-11-8-13(17-9-11)15(20)18-12-4-2-3-5-14(12)19-7-6-16-10-19/h2-7,10-11,13,17H,8-9H2,1H3,(H,18,20).
What are the key properties of N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide?
N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61214618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).